| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:31:32 UTC |
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| Update date | 2017-01-19 02:36:30 UTC |
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| FoodComEx ID | PC000623 |
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| FoodDB Record | FDB008295 |
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| Chemical Information |
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| Name | 2-Oxopropanal |
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| Description | Flavouring ingredient
Methylglyoxal, also called pyruvaldehyde or 2-oxopropanal (CH3-CO-CH=O or C3H4O2) is the aldehyde form of pyruvic acid. It has two carbonyl groups, so it is a dicarbonyl compound. Methylglyoxal is both an aldehyde and a ketone. 2-Oxopropanal is found in many foods, some of which are parsnip, garlic, brassicas, and burdock. |
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| CAS Number | 78-98-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| α-Ketopropionaldehyde | biospider | | 1-Ketopropionaldehyde | HMDB | | 1,2-propanedione | manual | | 2-keto Propionaldehyde | HMDB | | 2-Ketopropionaldehyde | biospider | | 2-oxo-Propionaldehyde | HMDB | | 2-Oxopropanal | biospider | | 2-Oxopropionaldehyde | biospider | | a-Ketopropionaldehyde | Generator | | Acetalformaldehyde | biospider | | Acetylformaldehyde | biospider | | Acetylformyl | biospider | | Aldehyde, pyruvic | biospider | | alpha-Ketopropionaldehyde | biospider | | alpha-Ketopropionic aldehyde | biospider | | CH3COCHO | ChEBI | | FEMA 2969 | db_source | | Glyoxal, methyl | biospider | | Ketopropionaldehyde | biospider | | Methylglyoxal | db_source | | NSC 79019 | db_source | | Propanalone | db_source | | Propanedione | biospider | | Propanolone | biospider | | Pyroracemic aldehyde | db_source | | Pyruvaldehyde | ChEBI | | Pyruvaldehyde, 8CI | db_source | | Pyruvic aldehyde | db_source | | α-ketopropionaldehyde | Generator |
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| Chemical Formula | C3H4O2 |
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| IUPAC name | 2-oxopropanal |
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| InChI Identifier | InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3 |
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| InChI Key | AIJULSRZWUXGPQ-UHFFFAOYSA-N |
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| Isomeric SMILES | CC(=O)C=O |
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| Average Molecular Weight | 72.0627 |
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| Monoisotopic Molecular Weight | 72.021129372 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as alpha ketoaldehydes. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | Alpha ketoaldehydes |
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| Alternative Parents | |
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| Substituents | - Alpha-ketoaldehyde
- Ketone
- Organic oxide
- Hydrocarbon derivative
- Short-chain aldehyde
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | < 25 oC | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | liquid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | H451 |
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| AKSci | J94070 |
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| AKSci | HMDB0001167 |
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| MetaSci | HMDB0001167 |
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| Toronto Research Chemicals | P998870 |
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